4-Benzyl-2-nitrophenol

Base Information

• Chemical Name: 4-Benzyl-2-nitrophenol
• CAS No.: 37021-63-9
• Molecular Formula: C13H11NO3
• Molecular Weight: 229.235
• DSSTox Substance ID: DTXSID10354900
• Nikkaji Number: J308.280F
• Wikidata: Q82133384
• Mol file: 37021-63-9.mol

Synonyms:4-benzyl-2-nitrophenol;37021-63-9;2-Nitro-4-benzylphenol;4-benzyl-2-nitro-phenol;Cambridge id 5142570;Oprea1_809259;SCHEMBL1601110;DTXSID10354900;NDIBMYMEBYRTTJ-UHFFFAOYSA-N;AKOS003630738;2-NITRO-ALPHA-PHENYL-PARA-CRESOL;CS-0265437;EN300-98568;Z979482348

Chemical Property of 4-Benzyl-2-nitrophenol

Chemical Property:

• PSA: 66.05000
• LogP: 3.41440
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyl-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)[N+](=O)[O-]

Technology Process of 4-Benzyl-2-nitrophenol

There total 5 articles about 4-Benzyl-2-nitrophenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

p-benzylphenol (101-53-1) → 2-nitro-4-benzylphenol (37021-63-9)

Guidance literature:

With tetrachlorosilane; silica gel; sodium nitrite; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1080/10426500390228701

Reference yield:

2-benzyloxynitrobenzene (4560-41-2) → 2-phenylbenzo[d]oxazole (833-50-1) + 2-nitro-4-benzylphenol (37021-63-9) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) + N-(2-hydroxyphenyl)benzamide (3743-70-2)

Guidance literature:

In isopropyl alcohol; for 12h; Further byproducts given; Irradiation;

Reference yield:

2-benzyloxynitrobenzene (4560-41-2) → 2-phenylbenzo[d]oxazole (833-50-1) + 2-nitro-4-benzylphenol (37021-63-9) + 2-nitrophenyl benzoate (1523-12-2) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) + N-(2-hydroxyphenyl)benzamide (3743-70-2)

Guidance literature:

In isopropyl alcohol; for 12h; Product distribution; Mechanism; Irradiation;

upstream raw materials:

p-benzylphenol

2-benzyloxynitrobenzene

nitric acid

acetic acid

Downstream raw materials:

3.5-dinitro-4-oxy-diphenylmethane

4-benzyl-2-bromo-6-nitro-phenol

2-amino-4-benzyl-phenol

5-benzylquinolin-8-ol

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